Molecule card · MolClass #8123

74340-04-8

74340-04-8: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

MolClass ID: 8123
InChIKey: GSYBOJMAIWKJDW-YKSBVNFPSA-N
Canonical SMILES: OC3C=Cc2cc4c6ccccc6(cc5c1ccccc1c(c2C3(O))c45)
Standard InChI: InChI=1S/C24H16O2/c25-20-10-9-14-12-18-15-6-2-1-5-13(15)11-19-16-7-3-4-8-17(16)23(22(18)19)21(14)24(20)26/h1-12,20,24-26H/t20-,24+/m1/s1
Stored Murcko scaffold: c1ccc2c(c1)cc3-c4ccccc4-c5c3c2cc6C=CCCc65

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 40.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 336.384 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.817; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Ames Categorization
Dataset #6 · 74340-04-8